Transketolase-IN-2

CAT: 0607-BA8368-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8368-10Size:10 mg

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CAS Number

2757552-21-7

Form

A solid

Molecular Formula

C18H9F3N2O3S

Molecular Weight

390.34

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

Transketolase-IN-2

CAS Number	2757552-21-7
PubChem CID	165437255
IUPAC Name	2-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]benzo[de]isoquinoline-1,3-dione
Molecular Formula	C18H9F3N2O3S
Molecular Weight	390.3
XLogP	4.3
Topological Polar Surface Area	95.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Heavy Atom Count	27
Formal Charge	0
Complexity	641

SMILES

CC1=NC(=C(S1)C(=O)N2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(F)(F)F

InChI

InChI=1S/C18H9F3N2O3S/c1-8-22-14(18(19,20)21)13(27-8)17(26)23-15(24)10-6-2-4-9-5-3-7-11(12(9)10)16(23)25/h2-7H,1H3

InChIKey

DSBLHEOFYWPYFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2757552-21-7

CID: 165437255

Formula: C18H9F3N2O3S

MW: 390.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	390.3
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	390.02859781
Monoisotopic Mass	390.02859781
Topological Polar Surface Area	95.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-151600-01	Transketolase-IN-2
493935	TKTL2 (Transketolase-Like Protein 2, Transketolase-Like 2)
365322	TKTL1 (Transketolase Like Protein 1, TKR, TKT2, TK 2, Transketolase-related protein, Transketolase 2)
134475	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR)
337932	Transketolase
134475-FITC	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (FITC)
134475-PE	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (PE)
MBS6139515-01	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) APC
134475-HRP	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (HRP)
MBS6134212-01	TKTL1 (Transketolase-like Protein 1, Transketolase 2, TK 2, TKT2, Transketolase-related Protein, TKR) (AP)